isoquinoline;5H-pyrrolo[2,3-b]pyrazine

C15H12N4 — CID 174842867

IUPACisoquinoline;5H-pyrrolo[2,3-b]pyrazine
SMILESc1ccc2cnccc2c1.c1cnc2[nH]ccc2n1
InChIInChI=1S/C9H7N.C6H5N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-6-5(1)7-3-4-9-6/h1-7H;1-4H,(H,8,9)
InChIKeyHWMLGXKOWRNIMR-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.19
Rot. Bonds

About isoquinoline;5H-pyrrolo[2,3-b]pyrazine

isoquinoline;5H-pyrrolo[2,3-b]pyrazine (PubChem CID 174842867) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is isoquinoline;5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Nameisoquinoline;5H-pyrrolo[2,3-b]pyrazine
PubChem CID174842867
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Nameisoquinoline;5H-pyrrolo[2,3-b]pyrazine
SMILESc1ccc2cnccc2c1.c1cnc2[nH]ccc2n1
InChIInChI=1S/C9H7N.C6H5N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-6-5(1)7-3-4-9-6/h1-7H;1-4H,(H,8,9)
InChIKeyHWMLGXKOWRNIMR-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142462490
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CID 67481109
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CID 157065360
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CID 172796468
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CID 66628488
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CID 59724414
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Frequently Asked Questions

What is the IUPAC name of isoquinoline;5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of isoquinoline;5H-pyrrolo[2,3-b]pyrazine (CID 174842867) is isoquinoline;5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for isoquinoline;5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for isoquinoline;5H-pyrrolo[2,3-b]pyrazine is c1ccc2cnccc2c1.c1cnc2[nH]ccc2n1.
What is the InChIKey of isoquinoline;5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is HWMLGXKOWRNIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H5N3/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-8-6-5(1)7-3-4-9-6/h1-7H;1-4H,(H,8,9).
What are the key properties of isoquinoline;5H-pyrrolo[2,3-b]pyrazine?
isoquinoline;5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 248.29 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinoline;5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 174842867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).